2-pentan-3-yl-3-thiophen-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine

Systemtic Name: 2-pentan-3-yl-3-thiophen-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine Openeye Name: 2-(1-ethylpropyl)-3-(2-thienyl)-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine CAS Name: 2-pentan-3-yl-3-thiophen-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine IUPAC Name: 2-pentan-3-yl-3-thiophen-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine Traditional Name: 2-(1-ethylpropyl)-3-(2-thienyl)-5,6,7,8-tetrahydro-4H-pyrazol[3,4-d]azepine Formula: C16H23N3S MolecularWeight: 289.43892

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)N1C(=C2CCNCCC2=N1)C3=CC=CS3

Isomeric SMILES

CCC(CC)N1C(=C2CCNCCC2=N1)C3=CC=CS3

InChI

InChI=1S/C16H23N3S/c1-3-12(4-2)19-16(15-6-5-11-20-15)13-7-9-17-10-8-14(13)18-19/h5-6,11-12,17H,3-4,7-10H2,1-2H3